2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid

C16H28O2 — CID 20710011

IUPAC2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid
SMILESCC1CCC(CC2CCC(CC(=O)O)CC2)CC1
InChIInChI=1S/C16H28O2/c1-12-2-4-13(5-3-12)10-14-6-8-15(9-7-14)11-16(17)18/h12-15H,2-11H2,1H3,(H,17,18)
InChIKeyLKUSNZLOCDIZHY-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.48
Rot. Bonds4

About 2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid

2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid (PubChem CID 20710011) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid
PubChem CID20710011
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid
SMILESCC1CCC(CC2CCC(CC(=O)O)CC2)CC1
InChIInChI=1S/C16H28O2/c1-12-2-4-13(5-3-12)10-14-6-8-15(9-7-14)11-16(17)18/h12-15H,2-11H2,1H3,(H,17,18)
InChIKeyLKUSNZLOCDIZHY-UHFFFAOYSA-N
XLogP4.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid
CID 22106849
2-[1-(4-methylcyclohexyl)azetidin-3-yl]acetic acid
CID 64747382
4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 88960002
2-(4-methylcyclohexyl)acetamide;hydrochloride
CID 169091321
ethane;methyl 5-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]-4-oxopentanoate
CID 171508506
2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid
CID 83835069
2-(4-tert-butylcyclohexyl)acetic acid
CID 4150736
2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol
CID 59931224
ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid
CID 145213044

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid (CID 20710011) is 2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid is CC1CCC(CC2CCC(CC(=O)O)CC2)CC1.
What is the InChIKey of 2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid?
The InChIKey is LKUSNZLOCDIZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-12-2-4-13(5-3-12)10-14-6-8-15(9-7-14)11-16(17)18/h12-15H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid?
2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid has a molecular weight of 252.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 20710011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).